trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C23H28N4OSSi — CID 59186587

IUPACtrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1
InChIInChI=1S/C23H28N4OSSi/c1-26-15-18(13-25-26)22-16-27(17-28-10-11-30(2,3)4)23-21(22)12-20(14-24-23)29-19-8-6-5-7-9-19/h5-9,12-16H,10-11,17H2,1-4H3
InChIKeyMVXFNOCBPACHDX-UHFFFAOYSA-N
MW436.66 g/mol
LogP5.90
Rot. Bonds8

About trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 59186587) has the molecular formula C23H28N4OSSi and a molecular weight of 436.66 g/mol. Its IUPAC name is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID59186587
Molecular FormulaC23H28N4OSSi
Molecular Weight436.66 g/mol
Exact Mass436.18
IUPAC Nametrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1
InChIInChI=1S/C23H28N4OSSi/c1-26-15-18(13-25-26)22-16-27(17-28-10-11-30(2,3)4)23-21(22)12-20(14-24-23)29-19-8-6-5-7-9-19/h5-9,12-16H,10-11,17H2,1-4H3
InChIKeyMVXFNOCBPACHDX-UHFFFAOYSA-N
XLogP5.90
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.66
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 59186587) is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1.
What is the InChIKey of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is MVXFNOCBPACHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OSSi/c1-26-15-18(13-25-26)22-16-27(17-28-10-11-30(2,3)4)23-21(22)12-20(14-24-23)29-19-8-6-5-7-9-19/h5-9,12-16H,10-11,17H2,1-4H3.
What are the key properties of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 436.66 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59186587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).